(2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid

C10H17N3O4S — CID 104935418

IUPAC(2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid
SMILESCCC[C@@H](NS(=O)(=O)c1c(C)n[nH]c1C)C(=O)O
InChIInChI=1S/C10H17N3O4S/c1-4-5-8(10(14)15)13-18(16,17)9-6(2)11-12-7(9)3/h8,13H,4-5H2,1-3H3,(H,11,12)(H,14,15)/t8-/m1/s1
InChIKeyPLQIBJVRJQJYSE-MRVPVSSYSA-N
MW275.33 g/mol
LogP0.56
Rot. Bonds6

About (2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid

(2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid (PubChem CID 104935418) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is (2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid
PubChem CID104935418
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name(2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid
SMILESCCC[C@@H](NS(=O)(=O)c1c(C)n[nH]c1C)C(=O)O
InChIInChI=1S/C10H17N3O4S/c1-4-5-8(10(14)15)13-18(16,17)9-6(2)11-12-7(9)3/h8,13H,4-5H2,1-3H3,(H,11,12)(H,14,15)/t8-/m1/s1
InChIKeyPLQIBJVRJQJYSE-MRVPVSSYSA-N
XLogP0.56
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257740
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79793186
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4,4-difluorobutanoic acid
CID 146081224
(2R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4,4-difluoropyrrolidine-2-carboxylic acid
CID 146108069
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetic acid
CID 16767665
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylbutanoic acid
CID 16767676
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 16767689
6-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]hexanoic acid
CID 16767781
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 16767958
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-2-carboxylic acid
CID 16767964
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetic acid
CID 16767981
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
CID 16767986

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid?
The IUPAC name of (2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid (CID 104935418) is (2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid is CCC[C@@H](NS(=O)(=O)c1c(C)n[nH]c1C)C(=O)O.
What is the InChIKey of (2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid?
The InChIKey is PLQIBJVRJQJYSE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-4-5-8(10(14)15)13-18(16,17)9-6(2)11-12-7(9)3/h8,13H,4-5H2,1-3H3,(H,11,12)(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid?
(2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid has a molecular weight of 275.33 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 104935418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).